6-[3-[4-[3-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]piperazine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide → 6-[3-[4-[3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]piperazine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 1118270Notes

Reaction equation

HRID 1118270 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]([OH:8])[CH2:9][NH:10][CH2:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:17][C:18]([c:19]3[cH:20][c:21]([S:22]([c:23]4[cH:24][c:25]5[c:26]([c:27]([CH3:28])[cH:29]4)[n:30][cH:31][c:32]([C:33]([NH2:34])=[O:35])[c:36]5[NH:37][c:38]4[cH:39][cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45]4)(=[O:46])=[O:47])[cH:48][cH:49][cH:50]3)=[O:51])[cH:52][cH:53]2)[c:54]2[c:55]1[nH:56][c:57](=[O:58])[cH:59][cH:60]2)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH2:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[O:74][c:75]1[cH:76][cH:77][c:78]([CH:86]([CH2:87][NH:88][C:89]([CH2:90][c:91]2[cH:92][c:93]([C:94](=[O:95])[N:96]3[CH2:97][CH2:98][N:99]([C:102](=[O:103])[c:104]4[cH:105][c:106]([S:110](=[O:111])(=[O:112])[c:113]5[cH:114][c:115]6[c:116]([NH:127][c:128]7[cH:129][c:130]([O:134][CH3:135])[cH:131][cH:132][cH:133]7)[c:117]([C:124](=[O:125])[NH2:126])[cH:118][n:119][c:120]6[c:121]([CH3:123])[cH:122]5)[cH:107][cH:108][cH:109]4)[CH2:100][CH2:101]3)[cH:136][cH:137][cH:138]2)([CH3:139])[CH3:140])[O:141][Si:142]([C:143]([CH3:144])([CH3:145])[CH3:146])([CH3:147])[CH3:148])[c:79]2[cH:80][cH:81][c:82](=[O:85])[nH:83][c:84]12>>[CH2:67]([c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[O:74][c:75]1[cH:76][cH:77][c:78]([CH:86]([CH2:87][NH:88][C:89]([CH2:90][c:91]2[cH:92][c:93]([C:94](=[O:95])[N:96]3[CH2:97][CH2:98][N:99]([C:102](=[O:103])[c:104]4[cH:105][c:106]([S:110](=[O:111])(=[O:112])[c:113]5[cH:114][c:115]6[c:116]([NH:127][c:128]7[cH:129][c:130]([O:134][CH3:135])[cH:131][cH:132][cH:133]7)[c:117]([C:124](=[O:125])[NH2:126])[cH:118][n:119][c:120]6[c:121]([CH3:123])[cH:122]5)[cH:107][cH:108][cH:109]4)[CH2:100][CH2:101]3)[cH:136][cH:137][cH:138]2)([CH3:139])[CH3:140])[OH:141])[c:79]2[cH:80][cH:81][c:82](=[O:85])[nH:83][c:84]12

Participants

3

Reactant 2

HCID 872263346-[3-[4-[3-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]piperazine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamideHCID 872263616-[3-[[4-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Product 1

HCID 872262836-[3-[4-[3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]piperazine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-05bd1cf12c674171939da8a142a52036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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